SCHEMBL22869232

SCHEMBL22869232

CC(=O)O[C@H]1CC[C@@H](OC(C)=O)O1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
CHRM2 P08172 5/20 0.38
CHRM1 P11229 3/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
OGA O60502 1/20 0.35
CHRM4 P08173 2/20 0.34
CHRM3 P20309 2/20 0.34
CA9 Q16790 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9375474 1.00 TSHR (0.52) TSHRCHRM2CHRM1MEN1CYP2D6
SCHEMBL22869234 1.00 TSHR (0.52) TSHRCHRM2CHRM1MEN1CYP2D6
SCHEMBL19365113 0.90 TSHR (0.48) TSHRCHRM2CHRM1MEN1CYP2D6
SCHEMBL7921047 0.86 TSHR (0.55) TSHRCHRM2CHRM1MEN1CYP2D6
SCHEMBL14765414 0.86 TSHR (0.55) TSHRCHRM2CHRM1MEN1CYP2D6
SCHEMBL24601306 0.83 TSHR (0.43) TSHRCHRM2CHRM1MEN1CYP2D6
SCHEMBL13296959 0.81 TSHR (0.46) TSHRCHRM2CHRM1MEN1CYP2D6
SCHEMBL24313653 0.81 TSHR (0.42) TSHRCHRM2CHRM1MEN1CYP2D6
SCHEMBL17831609 0.81 TSHR (0.42) TSHRCHRM2CHRM1MEN1CYP2D6
SCHEMBL25979999 0.81 TSHR (0.42) TSHRCHRM2CHRM1MEN1CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11066379-B2 Gracilin A and congeners as immunosuppressive and neuroprotective agents THE TEXAS A&M UNIVERSITY SYSTEM (US) 2021-07-20 US disclosed
US-20210002245-A1 GRACILIN A AND CONGENERS AS IMMUNOSUPPRESSIVE AND NEUROPROTECTIVE AGENTS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2021-01-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210002245-A1 GRACILIN A AND CONGENERS AS IMMUNOSUPPRESSIVE AND NEUROPROTECTIVE AGENTS GRIN2A, GRIN3B, GRIN1 TSHR 2457/4885CHRM2 3367/4885CHRM1 3823/4885
US-11066379-B2 Gracilin A and congeners as immunosuppressive and neuroprotective agents GRIN2A, GRIN3B, GRIN1 TSHR 2457/4885CHRM2 3367/4885CHRM1 3823/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.